Glycyrrhizol A
PubChem CID: 11546269
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | GLYCYRRHIZOL A, 877373-00-7, Loloz component glycyrrhizol A, 84L7S5MVN5, UNII-84L7S5MVN5, CHEBI:65976, Glycyrrhizol A component of loloz, 1-methoxy-2,8-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, 6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, 1-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-, Glycyrrhizol, 7,4'-dihydroxy-5-methoxy-6,5'-di(3,3-dimethylallyl)-pterocarpene, 1-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, SCHEMBL955899, CHEMBL522282, DTXSID50468358, Q5572791 |
|---|---|
| Topological Polar Surface Area | 72.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 679.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-2,8-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.6 |
| Molecular Formula | C26H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBPFOSMNDISZLV-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -4.253 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.482 |
| Compound Name | Glycyrrhizol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 420.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 420.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.658395516129033 |
| Inchi | InChI=1S/C26H28O5/c1-14(2)6-8-16-10-18-19-13-30-23-12-21(28)17(9-7-15(3)4)25(29-5)24(23)26(19)31-22(18)11-20(16)27/h6-7,10-12,27-28H,8-9,13H2,1-5H3 |
| Smiles | CC(=CCC1=CC2=C(C=C1O)OC3=C2COC4=C3C(=C(C(=C4)O)CC=C(C)C)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all